methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-[(methylsulfanylperoxyamino)methyl]benzoate

Systemtic Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-[(methylsulfanylperoxyamino)methyl]benzoate Openeye Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-[(methylsulfanylperoxyamino)methyl]benzoate CAS Name: 2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-4-[[(methylthio)dioxyamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-[(methylsulfanylperoxyamino)methyl]benzoate Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-[[(methylthio)peroxyamino]methyl]benzoic acid methyl ester Formula: C17H21N5O9S2 MolecularWeight: 503.50674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CNOOSC)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CNOOSC)C(=O)OC)OC

InChI

InChI=1S/C17H21N5O9S2/c1-27-13-8-14(28-2)20-16(19-13)21-17(24)22-33(25,26)12-7-10(9-18-30-31-32-4)5-6-11(12)15(23)29-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)